Information card for entry 7009104

Structure parameters

• Formula: C68 H58 B Cu F4 N2 P4 S8
• Calculated formula: C68 H58 B Cu F4 N2 P4 S8
• SMILES: [Cu]12([P](C3=C(SC(=C4SC(=C(S4)C)C)S3)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](C1=C(SC(S1)=C1SC(=C(S1)C)C)[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].CC#N.CC#N
• Title of publication: Homoleptic complexes of Ag(I), Cu(I), Pd(II) and Pt(II) with tetrathiafulvalene-functionalized phosphine ligands †
• Authors of publication: Smucker, Bradley W.; Dunbar, Kim R.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 8
• Pages of publication: 1309
• a: 17.788 ± 0.004 Å
• b: 20.676 ± 0.004 Å
• c: 18.183 ± 0.004 Å
• α: 90°
• β: 90.83 ± 0.03°
• γ: 90°
• Cell volume: 6687 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 0.862
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No